[(2R,5R,8R,11R,14R,17R)-8-Benzyl-11-[(2R)-2-butanyl]-17-{[(2R)-1-{[(2R)-5-carbamimidamido-1-{[(2R)-1-(hydroxyamino)-3-(2-naphthyl)-1-oxo-2-propanyl]amino}-1-oxo-2-pentanyl]amino}-3-(1H-indol-3-yl)-1-o xo-2-propanyl]carbamoyl}-14-(3-carbamimidamidopropyl)-5-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosan-2-yl]acetic acid

More details:

• Systematic name

  [(2R,5R,8R,11R,14R,17R)-8-Benzyl-11-[(2R)-2-butanyl]-17-{[(2R)-1-{[(2R)-5-carbamimidamido-1-{[(2R)-1-(hydroxyamino)-3-(2-naphthyl)-1-oxo-2-propanyl]amino}-1-oxo-2-pentanyl]amino}-3-(1H-indol-3-yl)-1-o xo-2-propanyl]carbamoyl}-14-(3-carbamimidamidopropyl)-5-(1H-imidazol-5-ylmethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexaazacycloicosan-2-yl]acetic acid

• SMILES

  CC[C@@H](C)[C@@H]1C(=O)N[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N1)Cc2ccccc2)Cc3cnc[nH]3)CC(=O)O)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](Cc6ccc7ccccc7c6)C(=O)NO)CCCNC(=N)N

• Std. InChi

  InChI=1S/C66H85N19O13/c1-3-36(2)55-64(97)79-46(20-12-26-73-66(69)70)56(89)78-47(23-24-53(86)76-52(32-54(87)88)61(94)83-51(31-42-34-71-35-75-42)60(93)80-48(62(95)84-55)28-37-13-5-4-6-14-37)58(91)82-50(30-41-33-74-44-18-10-9-17-43(41)44)59(92)77-45(19-11-25-72-65(67)68)57(90)81-49(63(96)85-98)29-38-21-22-39-15-7-8-16-40(39)27-38/h4-10,13-18,21-22,27,33-36,45-52,55,74,98H,3,11-12,19-20,23-26,28-32H2,1-2H3,(H,71,75)(H,76,86)(H,77,92)(H,78,89)(H,79,97)(H,80,93)(H,81,90)(H,82,91)(H,83,94)(H,84,95)(H,85,96)(H,87,88)(H4,67,68,72)(H4,69,70,73)/t36-,45-,46-,47-,48-,49-,50-,51-,52-,55-/m1/s1

• Std. InChIKey

  ZCHFLKADFJILAX-LZAOUXPHSA-N

• Cite this record

  CSID:29409606, http://www.chemspider.com/Chemical-Structure.29409606.html (accessed 08:44, Apr 18, 2024)